Yangchuan Li's notes

From percolation model, a interesting issue occur when try to find a shortest way from one point to another. A good algorithm is Dijkstra Al...

I have to say compile the siesta is not a good experience for me. But when I go through it, I felt it's worth because it push me to unde...

1. Compile MPI package When there is error about can't find file ("*so*") when try to run "mpirun" command, try ...

This study note and matlab code are totally followed the file from (1)  https://nanohub.org/resources/8405 (2)  https://www.ece.nus.edu.sg...

Several parameters (like ecutwfc, kpoints and also a reasonable pseudopotential) need to be determined before running ultimate model. To det...